MMsINC Database Search


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MMsINC code: MMs01620556

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₂S₂

SMILES:

Clc1cccc(N\C(=N\S(=O)(=O)c2sccc2)\c2ccccc2)c1C

InChI:

InChI=1/C18H15ClN2O2S2/c1-13-15(19)9-5-10-16(13)20-18(14-7-3-2-4-8-14)21-25(22,23)17-11-6-12-24-17/h2-12H,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.856 kcal/mol

Physical Properties
Molecular Weight: 390.915 g/mol	logS: -6.35636	SlogP: 4.95752	Reactive groups: 0

Topological Properties
Globularity: 0.104014	Sterimol/B1: 2.39224	Sterimol/B2: 2.56519	Sterimol/B3: 5.01388
Sterimol/B4: 9.49192	Sterimol/L: 15.9176

Surface and Volume Properties
Accessible surface: 598.587	Positive charged surface: 251.527	Negative charged surface: 347.061	Volume: 334.75
Hydrophobic surface: 540.533	Hydrophilic surface: 58.054

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.